2-[4-[(3-fluorophenyl)methyl]-5-oxomorpholin-2-yl]acetic acid

C13H14FNO4 — CID 115060361

IUPAC2-[4-[(3-fluorophenyl)methyl]-5-oxomorpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(Cc2cccc(F)c2)C(=O)CO1
InChIInChI=1S/C13H14FNO4/c14-10-3-1-2-9(4-10)6-15-7-11(5-13(17)18)19-8-12(15)16/h1-4,11H,5-8H2,(H,17,18)
InChIKeySMLCXODEODXQQT-UHFFFAOYSA-N
MW267.26 g/mol
LogP1.03
Rot. Bonds4

About 2-[4-[(3-fluorophenyl)methyl]-5-oxomorpholin-2-yl]acetic acid

2-[4-[(3-fluorophenyl)methyl]-5-oxomorpholin-2-yl]acetic acid (PubChem CID 115060361) has the molecular formula C13H14FNO4 and a molecular weight of 267.26 g/mol. Its IUPAC name is 2-[4-[(3-fluorophenyl)methyl]-5-oxomorpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3-fluorophenyl)methyl]-5-oxomorpholin-2-yl]acetic acid
PubChem CID115060361
Molecular FormulaC13H14FNO4
Molecular Weight267.26 g/mol
Exact Mass267.09
IUPAC Name2-[4-[(3-fluorophenyl)methyl]-5-oxomorpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(Cc2cccc(F)c2)C(=O)CO1
InChIInChI=1S/C13H14FNO4/c14-10-3-1-2-9(4-10)6-15-7-11(5-13(17)18)19-8-12(15)16/h1-4,11H,5-8H2,(H,17,18)
InChIKeySMLCXODEODXQQT-UHFFFAOYSA-N
XLogP1.03
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-6-(3-fluorophenyl)morpholin-3-one
CID 73211209
3-[4-[(3-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]propanoic acid
CID 115060369
6-(2-aminoethyl)-4-[(3-hydroxyphenyl)methyl]morpholin-3-one
CID 115060343
1-[(3-fluorophenyl)methyl]aziridin-2-one
CID 88919956
6-(aminomethyl)-4-benzylmorpholin-3-one;hydrochloride
CID 146050632
2-[4-[1-(3-fluorophenyl)propan-2-yl]morpholin-2-yl]acetic acid
CID 114834819
2-[2-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-5-yl]acetic acid
CID 115060848
(6S)-4-benzyl-6-(4-fluoro-2-methoxyphenyl)morpholin-3-one
CID 72725322
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-methoxyacetamide
CID 42303049
(3S)-N-cyclopropyl-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 42193496
(5R)-1-[(3-fluorophenyl)methyl]-5-(1,2-oxazolidine-2-carbonyl)piperidin-2-one
CID 25375387
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxobutanamide
CID 95729706

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-fluorophenyl)methyl]-5-oxomorpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[(3-fluorophenyl)methyl]-5-oxomorpholin-2-yl]acetic acid (CID 115060361) is 2-[4-[(3-fluorophenyl)methyl]-5-oxomorpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[(3-fluorophenyl)methyl]-5-oxomorpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[(3-fluorophenyl)methyl]-5-oxomorpholin-2-yl]acetic acid is O=C(O)CC1CN(Cc2cccc(F)c2)C(=O)CO1.
What is the InChIKey of 2-[4-[(3-fluorophenyl)methyl]-5-oxomorpholin-2-yl]acetic acid?
The InChIKey is SMLCXODEODXQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO4/c14-10-3-1-2-9(4-10)6-15-7-11(5-13(17)18)19-8-12(15)16/h1-4,11H,5-8H2,(H,17,18).
What are the key properties of 2-[4-[(3-fluorophenyl)methyl]-5-oxomorpholin-2-yl]acetic acid?
2-[4-[(3-fluorophenyl)methyl]-5-oxomorpholin-2-yl]acetic acid has a molecular weight of 267.26 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-fluorophenyl)methyl]-5-oxomorpholin-2-yl]acetic acid is sourced from PubChem (CID 115060361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).